SCHEMBL5149456

SCHEMBL5149456

O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CCC1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.47
CACNA1B Q00975 2/20 0.47
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CXCR3 P49682 1/20 0.42
ACHE P22303 2/20 0.41
KCNA5 P22460 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5153157 0.85 MAPT (0.46) CACNA1BACHEKCNA5SMN1; SMN2MAPT
SCHEMBL5156317 0.85 CACNA1B (0.64) CACNA1BCXCR3ACHEKCNA5SMN1; SMN2
SCHEMBL5152821 0.83 CACNA1B (0.53) CACNA1BHCRTR1HCRTR2KCNA5SMN1; SMN2
SCHEMBL5152739 0.82 ACHE (0.58) CACNA1BACHESMN1; SMN2MAPT
SCHEMBL5154974 0.81 HCRTR1 (0.50) CETPCACNA1BHCRTR1HCRTR2ACHE
SCHEMBL5156906 0.81 CACNA1B (0.48) CACNA1BHCRTR1HCRTR2ACHEKCNA5
SCHEMBL5153130 0.81 KCNA5 (0.50) CACNA1BHCRTR1HCRTR2ACHEKCNA5
SCHEMBL5156178 0.81 NPSR1 (0.52) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5149596 0.81 CACNA1B (0.46) CACNA1BHCRTR1HCRTR2ACHESMN1; SMN2
SCHEMBL5152211 0.80 ACHE (0.50) CACNA1BHCRTR1HCRTR2ACHEMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223754-B2 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-22 US disclosed
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-07-07 US disclosed
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders TRPV2, RYR2, VDAC2 CETP 4188/4885CACNA1B 13/4885HCRTR1 1608/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I CETP 4763/4885CACNA1B 10/4885HCRTR1 2195/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I CETP 4763/4885CACNA1B 10/4885HCRTR1 2195/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.